#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9i n SER 2 N 0.00 -2.16 -4.94 1.61 3.41 -1.26 -5.01 113.62 105.27 2d9i n SER 2 Ca 0.00 -0.12 -0.21 0.00 -0.26 0.00 0.00 58.87 58.28 2d9i n SER 2 Cb 0.00 -1.06 -0.02 0.00 -0.26 0.00 0.00 64.21 62.86 2d9i n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2d9i s SER 3 N -2.03 6.07 0.00 4.04 0.01 -1.26 -5.13 113.70 115.41 2d9i s SER 3 Ca 0.60 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.80 2d9i s SER 3 Cb -0.17 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.43 2d9i s SER 3 CO 0.66 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.78 2d9i n GLY 4 N -1.41 5.71 3.65 3.44 0.00 -1.26 -5.11 105.19 110.21 2d9i n GLY 4 Ca -0.07 -2.12 -0.37 0.00 0.00 0.00 0.00 46.02 43.46 2d9i n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d9i n SER 5 N -0.61 1.07 -3.95 1.61 7.64 -1.26 -4.99 113.62 113.14 2d9i n SER 5 Ca 0.00 0.79 -0.30 0.00 1.01 0.00 0.00 58.87 60.38 2d9i n SER 5 Cb 0.00 -1.44 0.22 0.00 -1.01 0.00 0.00 64.21 61.99 2d9i n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2d9i s SER 6 N -1.33 1.51 0.00 6.43 1.04 -1.26 -4.99 113.70 115.11 2d9i s SER 6 Ca 0.78 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.81 2d9i s SER 6 Cb -0.40 -0.83 0.00 0.00 0.10 0.00 0.00 66.02 64.90 2d9i s SER 6 CO 0.45 -3.76 0.00 0.61 0.98 0.00 0.00 173.24 171.52 2d9i n GLY 7 N -1.56 1.90 3.74 7.32 0.00 -1.26 -5.01 105.19 110.33 2d9i n GLY 7 Ca 0.13 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 2d9i n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2d9i s GLN 8 N -5.03 4.34 -0.00 1.61 1.11 -1.26 -4.91 119.66 115.51 2d9i s GLN 8 Ca 0.00 2.17 0.05 0.00 0.01 0.00 0.00 55.36 57.58 2d9i s GLN 8 Cb 0.00 -3.15 -0.06 0.00 -1.01 0.00 0.00 33.01 28.79 2d9i s GLN 8 CO 0.00 -0.32 0.17 0.09 0.01 0.00 0.00 175.29 175.24 2d9i n ASN 9 N 2.38 1.20 -4.42 5.90 4.13 -1.26 -4.97 115.26 118.22 2d9i n ASN 9 Ca 0.06 -0.45 -0.35 0.00 1.68 0.00 0.00 54.58 55.52 2d9i n ASN 9 Cb 0.42 1.06 -0.13 0.00 -1.54 0.00 0.00 39.78 39.58 2d9i n ASN 9 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2d9i s VAL 10 N -1.67 3.86 -0.23 2.41 0.11 -1.26 -2.52 120.40 121.11 2d9i s VAL 10 Ca 0.01 -0.34 -0.07 0.00 -2.93 0.00 0.00 61.98 58.65 2d9i s VAL 10 Cb 0.03 -2.75 -0.03 0.00 -1.53 0.00 0.00 36.38 32.10 2d9i s VAL 10 CO 0.19 0.42 0.07 -0.22 -3.33 0.00 0.00 175.10 172.23 2d9i s LEU 11 N 1.16 3.56 -0.38 2.54 2.96 0.17 -4.99 118.68 123.70 2d9i s LEU 11 Ca 0.03 -0.11 -0.19 0.00 -0.22 0.00 0.00 54.13 53.63 2d9i s LEU 11 Cb -0.14 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.62 2d9i s LEU 11 CO 0.01 0.03 0.56 1.51 -1.32 0.00 0.00 176.35 177.15 2d9i s ASP 12 N 1.21 6.33 -0.08 3.68 -4.77 -1.26 -1.50 116.67 120.28 2d9i s ASP 12 Ca 0.05 -0.12 0.11 0.00 -3.30 0.00 0.00 52.55 49.28 2d9i s ASP 12 Cb -0.14 -2.29 -0.24 0.00 -1.09 0.00 0.00 42.92 39.16 2d9i s ASP 12 CO 0.03 -0.58 0.53 0.18 0.70 0.00 0.00 175.17 176.03 2d9i n LEU 13 N 5.92 1.01 -4.68 2.11 4.77 0.17 -4.91 117.00 121.39 2d9i n LEU 13 Ca -0.03 0.33 -0.51 0.00 -0.03 0.00 0.00 56.01 55.76 2d9i n LEU 13 Cb 0.48 0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 2d9i n LEU 13 CO 0.48 0.47 1.33 0.00 -1.33 0.00 0.00 177.39 178.34 2d9i n HIS 14 N -3.06 2.15 0.00 -1.77 1.44 -0.62 -1.89 115.22 111.48 2d9i n HIS 14 Ca -0.21 0.26 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 2d9i n HIS 14 Cb 1.06 -2.55 0.00 0.00 0.12 0.00 0.00 29.99 28.62 2d9i n HIS 14 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2d9i n GLY 15 N 3.97 1.06 3.97 -1.39 0.00 -1.26 -5.00 105.19 106.52 2d9i n GLY 15 Ca 0.22 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 2d9i n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d9i s LEU 16 N 0.00 3.05 0.21 0.99 1.43 -0.79 -5.08 118.68 118.49 2d9i s LEU 16 Ca 0.00 0.02 -0.19 0.00 -1.03 0.00 0.00 54.13 52.93 2d9i s LEU 16 Cb 0.00 -2.65 -0.08 0.00 0.03 0.00 0.00 46.19 43.49 2d9i s LEU 16 CO 0.00 -1.53 0.70 -2.28 0.23 0.00 0.00 176.35 173.47 2d9i s HIS 17 N -3.04 3.64 0.21 0.29 5.65 -1.26 -4.77 115.29 116.00 2d9i s HIS 17 Ca 0.61 1.35 -0.10 0.00 0.25 0.00 0.00 55.06 57.17 2d9i s HIS 17 Cb -0.09 -2.59 0.29 0.00 -1.18 0.00 0.00 32.58 29.02 2d9i s HIS 17 CO 0.42 0.34 1.25 0.28 -0.65 0.00 0.00 174.74 176.39 2d9i n VAL 18 N 0.72 -0.38 0.04 0.89 0.31 -1.26 0.70 118.33 119.34 2d9i n VAL 18 Ca -0.03 1.87 -0.10 0.00 -0.01 0.00 0.00 64.34 66.06 2d9i n VAL 18 Cb 0.51 -2.53 -0.04 0.00 -0.91 0.00 0.00 33.84 30.87 2d9i n VAL 18 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2d9i h ASP 19 N 0.00 -0.46 0.78 4.52 3.32 -1.97 -0.83 116.42 121.79 2d9i h ASP 19 Ca 0.34 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.42 2d9i h ASP 19 Cb 0.54 0.20 0.01 0.00 0.22 0.00 0.00 39.33 40.30 2d9i h ASP 19 CO -0.82 -0.21 -0.38 -0.33 -1.72 0.00 0.00 179.24 175.79 2d9i h GLU 20 N -0.23 -1.01 -0.82 3.56 4.39 -0.10 -2.18 114.58 118.18 2d9i h GLU 20 Ca 0.06 0.07 0.20 0.00 0.34 0.00 0.00 59.36 60.03 2d9i h GLU 20 Cb 0.32 0.23 -0.14 0.00 -0.10 0.00 0.00 28.75 29.06 2d9i h GLU 20 CO -0.18 -0.67 0.02 0.00 -1.16 0.00 0.00 179.01 177.02 2d9i h ALA 21 N -0.87 0.89 0.46 3.43 0.00 -0.31 0.43 119.26 123.28 2d9i h ALA 21 Ca -0.11 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2d9i h ALA 21 Cb 0.81 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2d9i h ALA 21 CO 0.18 -0.45 -0.28 -0.07 0.00 0.00 0.00 179.25 178.63 2d9i h LEU 22 N 0.09 -0.69 -0.89 0.00 3.38 -0.99 -0.63 115.31 115.58 2d9i h LEU 22 Ca 0.46 0.04 0.24 0.00 0.09 0.00 0.00 57.88 58.71 2d9i h LEU 22 Cb 0.85 0.20 -0.14 0.00 0.09 0.00 0.00 40.66 41.66 2d9i h LEU 22 CO -0.73 -0.43 0.29 -0.33 0.09 0.00 0.00 178.44 177.33 2d9i h GLU 23 N -0.68 0.24 -0.53 1.13 4.39 -0.72 0.25 114.58 118.67 2d9i h GLU 23 Ca -0.06 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2d9i h GLU 23 Cb 0.54 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 2d9i h GLU 23 CO 0.06 0.16 0.33 0.45 -1.16 0.00 0.00 179.01 178.86 2d9i h HIS 24 N 0.25 0.68 -0.33 4.33 3.86 -0.71 -0.28 115.15 122.96 2d9i h HIS 24 Ca 0.56 0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.88 2d9i h HIS 24 Cb 1.14 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.37 2d9i h HIS 24 CO -0.22 0.45 0.23 1.25 0.86 0.00 0.00 177.93 180.50 2d9i h LEU 25 N 0.71 0.00 0.11 2.43 5.85 0.11 0.31 115.31 124.83 2d9i h LEU 25 Ca 0.19 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.72 2d9i h LEU 25 Cb -0.05 -0.00 0.01 0.00 0.37 0.00 0.00 40.66 40.99 2d9i h LEU 25 CO -0.04 0.00 -0.90 0.24 -0.34 0.00 0.00 178.44 177.41 2d9i h MET 26 N 0.00 0.23 -0.40 1.25 2.86 -0.80 -2.19 114.93 115.89 2d9i h MET 26 Ca 0.15 -0.40 -0.06 0.00 -2.06 0.00 0.00 59.70 57.34 2d9i h MET 26 Cb 0.62 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 2d9i h MET 26 CO -0.00 1.19 0.00 0.00 1.06 0.00 0.00 176.91 179.16 2d9i h ARG 27 N -0.46 0.64 0.04 1.72 2.47 -0.42 -2.70 114.38 115.67 2d9i h ARG 27 Ca -0.18 -0.15 -0.22 0.00 -1.26 0.00 0.00 59.98 58.16 2d9i h ARG 27 Cb 1.58 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 29.80 2d9i h ARG 27 CO 0.09 0.66 -1.04 -0.39 0.56 0.00 0.00 179.97 179.86 2d9i h VAL 28 N 0.61 1.61 -0.37 2.04 -1.51 -0.54 -0.13 116.25 117.97 2d9i h VAL 28 Ca 0.13 -3.15 -0.01 0.00 -1.23 0.00 0.00 66.70 62.43 2d9i h VAL 28 Cb 0.38 2.79 -0.02 0.00 -2.13 0.00 0.00 31.29 32.32 2d9i h VAL 28 CO 0.01 0.91 0.18 -0.07 -1.23 0.00 0.00 177.57 177.38 2d9i h LEU 29 N 0.04 0.46 0.05 4.19 3.38 -1.08 0.53 115.31 122.88 2d9i h LEU 29 Ca -0.05 -0.03 -0.37 0.00 0.09 0.00 0.00 57.88 57.51 2d9i h LEU 29 Cb 1.76 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 42.35 2d9i h LEU 29 CO 0.15 0.39 -2.24 -0.62 0.09 0.00 0.00 178.44 176.21 2d9i n GLU 30 N -4.42 0.69 0.10 1.13 -0.58 -1.08 -3.36 120.64 113.12 2d9i n GLU 30 Ca 0.02 0.19 -0.02 0.00 -0.42 0.00 0.00 57.16 56.93 2d9i n GLU 30 Cb 0.11 -1.61 0.23 0.00 -0.57 0.00 0.00 31.44 29.61 2d9i n GLU 30 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2d9i h LYS 31 N 0.03 0.24 0.05 3.49 3.64 -0.92 -2.77 116.57 120.31 2d9i h LYS 31 Ca -0.50 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 58.77 2d9i h LYS 31 Cb 1.99 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.81 2d9i h LYS 31 CO -0.00 0.60 -0.02 0.87 -2.27 0.00 0.00 179.45 178.63 2d9i h LYS 32 N 0.20 -0.06 -0.60 1.90 1.79 -0.11 -3.27 116.57 116.42 2d9i h LYS 32 Ca 0.02 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.67 2d9i h LYS 32 Cb 0.79 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.43 2d9i h LYS 32 CO 0.06 0.54 0.56 0.00 -1.08 0.00 0.00 179.45 179.53 2d9i h THR 33 N -0.93 0.41 0.20 -0.16 1.03 -1.59 -2.32 112.91 109.54 2d9i h THR 33 Ca -0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.39 2d9i h THR 33 Cb 0.62 0.58 -0.02 0.00 -1.07 0.00 0.00 68.15 68.26 2d9i h THR 33 CO 0.01 0.00 -0.32 -0.33 -0.01 0.00 0.00 175.52 174.87 2d9i h GLU 34 N 0.00 -0.53 0.00 0.00 5.08 -1.54 -1.71 114.58 115.88 2d9i h GLU 34 Ca 0.28 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2d9i h GLU 34 Cb 1.40 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.77 2d9i h GLU 34 CO -0.00 -0.35 -0.02 0.93 -1.00 0.00 0.00 179.01 178.57 2d9i h GLU 35 N -0.55 0.00 -0.77 2.33 4.39 -1.58 0.36 114.58 118.76 2d9i h GLU 35 Ca -0.02 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.69 2d9i h GLU 35 Cb 0.51 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 2d9i h GLU 35 CO -0.11 0.02 0.51 0.35 -1.16 0.00 0.00 179.01 178.62 2d9i h PHE 36 N 0.00 0.95 0.09 4.33 3.57 -1.11 0.32 116.94 125.09 2d9i h PHE 36 Ca -0.00 0.02 -0.35 0.00 3.53 0.00 0.00 57.97 61.18 2d9i h PHE 36 Cb 0.03 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.42 2d9i h PHE 36 CO 0.00 0.58 -1.93 1.63 -2.23 0.00 0.00 178.31 176.36 2d9i n LYS 37 N -4.43 0.72 0.08 1.11 5.02 -0.67 -2.41 118.16 117.57 2d9i n LYS 37 Ca 0.09 0.27 -0.13 0.00 -2.02 0.00 0.00 58.31 56.52 2d9i n LYS 37 Cb 0.06 -1.73 -0.08 0.00 -0.02 0.00 0.00 35.03 33.26 2d9i n LYS 37 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2d9i h GLN 38 N 0.05 -0.17 0.00 1.97 1.08 -0.78 -3.40 115.11 113.85 2d9i h GLN 38 Ca -0.39 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 2d9i h GLN 38 Cb 2.03 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 29.50 2d9i h GLN 38 CO 0.08 0.09 -0.18 -1.71 -0.95 0.00 0.00 178.83 176.16 2d9i n ASN 39 N -5.05 0.39 0.00 1.46 5.15 0.11 -5.06 115.26 112.25 2d9i n ASN 39 Ca -0.09 0.12 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 2d9i n ASN 39 Cb 0.19 -0.55 0.00 0.00 -0.53 0.00 0.00 39.78 38.88 2d9i n ASN 39 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2d9i n GLY 40 N 1.54 2.33 0.00 8.20 0.00 -0.97 -5.01 105.19 111.27 2d9i n GLY 40 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2d9i n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d9i n GLY 41 N 0.00 5.42 3.75 -0.02 0.00 -1.20 -4.90 105.19 108.23 2d9i n GLY 41 Ca 0.00 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 2d9i n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d9i s LYS 42 N 0.22 4.22 0.00 1.61 1.02 -1.26 -4.87 119.74 120.68 2d9i s LYS 42 Ca 0.00 2.40 0.15 0.00 0.02 0.00 0.00 55.97 58.53 2d9i s LYS 42 Cb 0.00 -3.07 0.87 0.00 -0.52 0.00 0.00 37.83 35.11 2d9i s LYS 42 CO 0.00 -0.48 1.29 -0.35 -0.92 0.00 0.00 175.35 174.89 2d9i n PRO 43 N 2.08 0.49 -4.74 -1.68 -0.04 -1.26 -4.74 135.00 125.11 2d9i n PRO 43 Ca 0.06 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.20 2d9i n PRO 43 Cb 0.39 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 2d9i n PRO 43 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2d9i s TYR 44 N -2.00 1.89 -0.13 0.54 1.13 -1.26 0.65 117.35 118.17 2d9i s TYR 44 Ca 0.22 -0.97 -0.06 0.00 -1.41 0.00 0.00 57.07 54.85 2d9i s TYR 44 Cb 0.10 -1.58 0.05 0.00 -1.10 0.00 0.00 41.96 39.43 2d9i s TYR 44 CO 0.17 0.20 0.30 -1.17 -2.51 0.00 0.00 175.55 172.53 2d9i s LEU 45 N -3.85 0.17 0.22 -3.49 2.96 0.00 -4.79 118.68 109.91 2d9i s LEU 45 Ca 0.08 0.65 -0.30 0.00 -0.22 0.00 0.00 54.13 54.34 2d9i s LEU 45 Cb 0.02 0.92 -0.09 0.00 0.50 0.00 0.00 46.19 47.54 2d9i s LEU 45 CO 0.05 -0.18 0.98 -0.55 -1.32 0.00 0.00 176.35 175.32 2d9i s SER 46 N 1.45 7.54 -0.13 3.68 0.15 -1.05 -2.68 113.70 122.67 2d9i s SER 46 Ca -0.08 1.98 -0.04 0.00 0.70 0.00 0.00 55.95 58.51 2d9i s SER 46 Cb -0.10 -2.61 0.06 0.00 -1.71 0.00 0.00 66.02 61.66 2d9i s SER 46 CO -0.10 0.06 0.16 -0.69 1.20 0.00 0.00 173.24 173.87 2d9i s VAL 47 N -0.94 -0.25 -0.38 4.45 1.01 -0.98 -0.66 120.40 122.66 2d9i s VAL 47 Ca 0.43 0.15 -0.14 0.00 0.00 0.00 0.00 61.98 62.42 2d9i s VAL 47 Cb -0.27 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 35.69 2d9i s VAL 47 CO 0.33 -0.01 0.27 -0.63 0.00 0.00 0.00 175.10 175.06 2d9i s ILE 48 N 2.28 5.17 0.04 2.22 1.09 -0.56 -1.88 121.20 129.55 2d9i s ILE 48 Ca 0.04 -0.54 -0.00 0.00 -1.10 0.00 0.00 60.65 59.05 2d9i s ILE 48 Cb -0.14 -3.80 -0.26 0.00 -1.06 0.00 0.00 42.46 37.20 2d9i s ILE 48 CO -0.08 -0.20 0.98 0.71 -0.10 0.00 0.00 174.94 176.26 2d9i h THR 49 N 5.62 1.31 0.00 2.92 1.35 -1.88 0.51 112.91 122.73 2d9i h THR 49 Ca -0.28 -2.96 0.00 0.00 -0.55 0.00 0.00 66.41 62.61 2d9i h THR 49 Cb 1.13 2.79 0.00 0.00 -1.73 0.00 0.00 68.15 70.34 2d9i h THR 49 CO 0.69 0.83 0.00 0.61 -0.25 0.00 0.00 175.52 177.40 2d9i n GLY 50 N 1.57 4.29 3.25 5.82 0.00 -1.26 -2.89 105.19 115.96 2d9i n GLY 50 Ca -0.12 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 2d9i n GLY 50 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2d9i s ARG 51 N -2.96 0.65 0.00 1.61 1.04 -1.26 -4.75 118.95 113.28 2d9i s ARG 51 Ca 0.00 -0.09 0.00 0.00 -1.04 0.00 0.00 55.73 54.60 2d9i s ARG 51 Cb 0.00 0.29 0.00 0.00 -2.04 0.00 0.00 34.95 33.20 2d9i s ARG 51 CO 0.00 -0.17 0.00 0.41 -0.04 0.00 0.00 175.30 175.50 2d9i n GLY 52 N 1.45 1.40 0.35 3.88 0.00 -1.26 -4.75 105.19 106.26 2d9i n GLY 52 Ca -0.20 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 45.80 2d9i n GLY 52 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2d9i h ASN 53 N 0.00 -0.97 -0.96 1.61 -0.73 -1.96 0.52 115.58 113.09 2d9i h ASN 53 Ca 0.00 0.29 0.35 0.00 1.87 0.00 0.00 56.30 58.81 2d9i h ASN 53 Cb 0.00 0.62 -0.18 0.00 0.27 0.00 0.00 38.32 39.03 2d9i h ASN 53 CO 0.00 -0.31 0.31 0.00 -0.37 0.00 0.00 177.43 177.06 2d9i n HIS 54 N -5.59 0.91 -0.34 0.67 1.44 -1.26 -0.81 115.22 110.25 2d9i n HIS 54 Ca 0.14 1.15 -0.07 0.00 -2.01 0.00 0.00 57.72 56.93 2d9i n HIS 54 Cb 0.47 -1.41 -0.06 0.00 0.12 0.00 0.00 29.99 29.11 2d9i n HIS 54 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2d9i n SER 55 N -5.28 -0.80 -0.07 4.39 7.64 0.18 -2.54 113.62 117.14 2d9i n SER 55 Ca 0.31 1.45 -0.07 0.00 1.01 0.00 0.00 58.87 61.57 2d9i n SER 55 Cb 1.03 -0.22 -0.05 0.00 -1.01 0.00 0.00 64.21 63.97 2d9i n SER 55 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2d9i h GLN 56 N 0.00 0.00 0.00 1.43 4.20 -1.14 -3.47 115.11 116.13 2d9i h GLN 56 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2d9i h GLN 56 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2d9i h GLN 56 CO -0.78 0.38 0.00 0.41 -0.67 0.00 0.00 178.83 178.17 2d9i n GLY 57 N 1.66 0.01 3.89 3.46 0.00 -0.64 -5.04 105.19 108.53 2d9i n GLY 57 Ca -0.08 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 2d9i n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d9i n GLY 58 N 0.22 -0.13 0.59 -0.02 0.00 -0.49 -4.53 105.19 100.82 2d9i n GLY 58 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 46.02 46.15 2d9i n GLY 58 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2d9i n VAL 59 N -3.66 0.34 -0.10 1.61 3.14 -1.26 -4.30 118.33 114.11 2d9i n VAL 59 Ca -0.19 -0.19 -0.07 0.00 -2.96 0.00 0.00 64.34 60.94 2d9i n VAL 59 Cb 0.50 -0.34 -0.00 0.00 -1.06 0.00 0.00 33.84 32.94 2d9i n VAL 59 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2d9i h ALA 60 N 2.51 -0.03 -4.86 1.55 0.00 -1.98 -3.46 119.26 112.99 2d9i h ALA 60 Ca 0.00 0.11 -0.38 0.00 0.00 0.00 0.00 54.91 54.64 2d9i h ALA 60 Cb 0.58 0.54 0.09 0.00 0.00 0.00 0.00 17.79 19.00 2d9i h ALA 60 CO 0.06 -0.63 -0.61 -2.13 0.00 0.00 0.00 179.25 175.94 2d9i n ARG 61 N -5.39 -5.99 -0.08 0.00 0.63 -1.26 -4.65 116.66 99.92 2d9i n ARG 61 Ca 0.01 0.83 -0.21 0.00 -0.92 0.00 0.00 57.85 57.56 2d9i n ARG 61 Cb 0.30 -5.67 -0.12 0.00 0.45 0.00 0.00 32.46 27.42 2d9i n ARG 61 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2d9i h ILE 62 N -1.89 0.97 -0.69 5.15 2.04 -1.89 -3.37 117.51 117.82 2d9i h ILE 62 Ca -0.52 -2.23 0.13 0.00 1.00 0.00 0.00 64.86 63.24 2d9i h ILE 62 Cb 1.35 2.39 -0.09 0.00 -0.74 0.00 0.00 36.82 39.73 2d9i h ILE 62 CO 0.54 0.43 0.24 0.50 0.00 0.00 0.00 178.15 179.85 2d9i h LYS 63 N -0.83 0.37 -0.48 2.37 3.64 -1.91 -1.62 116.57 118.10 2d9i h LYS 63 Ca -0.32 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.13 2d9i h LYS 63 Cb 1.40 -0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 33.03 2d9i h LYS 63 CO -0.14 0.24 -0.27 -1.35 -2.27 0.00 0.00 179.45 175.66 2d9i h PRO 64 N 0.38 -0.16 0.04 1.90 0.11 -1.98 0.16 132.00 132.44 2d9i h PRO 64 Ca 0.37 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.49 2d9i h PRO 64 Cb 0.56 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.70 2d9i h PRO 64 CO -0.40 -0.11 -0.02 0.00 -0.21 0.00 0.00 178.00 177.27 2d9i h ALA 65 N 1.03 -0.05 -0.52 -0.75 0.00 -1.57 -2.48 119.26 114.93 2d9i h ALA 65 Ca 0.21 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.08 2d9i h ALA 65 Cb 0.51 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.23 2d9i h ALA 65 CO -0.58 -0.39 -0.05 0.28 0.00 0.00 0.00 179.25 178.51 2d9i h VAL 66 N -0.33 0.54 -0.96 0.00 2.07 -0.78 0.10 116.25 116.90 2d9i h VAL 66 Ca -0.00 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.51 2d9i h VAL 66 Cb 0.30 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 2d9i h VAL 66 CO 0.01 0.01 0.63 0.40 0.02 0.00 0.00 177.57 178.64 2d9i h ILE 67 N 0.07 1.22 -0.43 4.57 2.04 -0.66 0.42 117.51 124.73 2d9i h ILE 67 Ca 0.26 -0.44 -0.07 0.00 1.00 0.00 0.00 64.86 65.62 2d9i h ILE 67 Cb 0.40 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 2d9i h ILE 67 CO -0.48 0.23 0.02 0.50 0.00 0.00 0.00 178.15 178.42 2d9i h LYS 68 N 1.27 0.76 -0.51 2.37 3.64 -0.57 -2.35 116.57 121.17 2d9i h LYS 68 Ca 0.36 -0.23 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 2d9i h LYS 68 Cb -0.10 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 2d9i h LYS 68 CO -0.09 0.82 -0.13 -0.92 -2.27 0.00 0.00 179.45 176.85 2d9i h TYR 69 N 0.60 1.08 0.53 1.91 5.03 -0.40 -2.77 116.97 122.95 2d9i h TYR 69 Ca 0.13 -0.23 -0.03 0.00 2.58 0.00 0.00 58.73 61.18 2d9i h TYR 69 Cb 0.46 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.48 2d9i h TYR 69 CO 0.04 1.03 -0.27 -0.07 -1.32 0.00 0.00 178.16 177.56 2d9i h LEU 70 N 0.86 -0.65 -0.96 2.82 3.38 -0.81 -2.69 115.31 117.27 2d9i h LEU 70 Ca 0.13 0.03 0.27 0.00 0.09 0.00 0.00 57.88 58.40 2d9i h LEU 70 Cb 0.68 0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.47 2d9i h LEU 70 CO 0.05 -0.45 0.47 0.40 0.09 0.00 0.00 178.44 179.00 2d9i h ILE 71 N -0.73 0.37 -0.15 1.22 2.04 -1.49 0.50 117.51 119.26 2d9i h ILE 71 Ca -0.07 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.72 2d9i h ILE 71 Cb 0.57 -0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 2d9i h ILE 71 CO 0.11 0.06 -0.23 0.28 0.00 0.00 0.00 178.15 178.37 2d9i h SER 72 N 0.35 -0.72 -0.11 1.72 0.02 -1.29 0.14 113.55 113.65 2d9i h SER 72 Ca 0.65 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.72 2d9i h SER 72 Cb 1.37 0.32 0.00 0.00 0.14 0.00 0.00 62.40 64.23 2d9i h SER 72 CO -0.58 -0.28 0.00 1.41 -1.14 0.00 0.00 176.83 176.24 2d9i n HIS 73 N -5.36 0.26 -3.86 3.45 8.25 0.04 -4.87 115.22 113.13 2d9i n HIS 73 Ca -0.02 -0.10 -0.27 0.00 -0.26 0.00 0.00 57.72 57.06 2d9i n HIS 73 Cb 0.28 -0.08 0.02 0.00 1.12 0.00 0.00 29.99 31.33 2d9i n HIS 73 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2d9i n SER 74 N -0.02 -3.18 -4.58 0.41 7.64 0.48 -4.91 113.62 109.46 2d9i n SER 74 Ca 0.04 -0.82 -0.43 0.00 1.01 0.00 0.00 58.87 58.68 2d9i n SER 74 Cb 0.25 -3.84 -0.04 0.00 -1.01 0.00 0.00 64.21 59.56 2d9i n SER 74 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2d9i s PHE 75 N -3.48 3.02 0.17 1.43 0.08 -0.43 -4.98 117.98 113.79 2d9i s PHE 75 Ca 0.39 0.51 -0.30 0.00 0.12 0.00 0.00 56.93 57.65 2d9i s PHE 75 Cb -0.20 -3.69 -0.08 0.00 -0.57 0.00 0.00 43.02 38.48 2d9i s PHE 75 CO 0.83 -0.91 1.27 0.50 -0.10 0.00 0.00 175.22 176.81 2d9i s ARG 76 N 3.45 4.42 0.05 0.44 3.52 -1.26 -4.52 118.95 125.04 2d9i s ARG 76 Ca 0.35 1.96 -0.16 0.00 -0.13 0.00 0.00 55.73 57.75 2d9i s ARG 76 Cb -0.12 -3.23 0.03 0.00 -1.56 0.00 0.00 34.95 30.07 2d9i s ARG 76 CO 0.21 -0.22 0.38 -0.59 -0.81 0.00 0.00 175.30 174.27 2d9i s PHE 77 N 0.26 -0.21 0.05 5.12 -0.71 -1.26 -1.23 117.98 120.00 2d9i s PHE 77 Ca 0.56 0.11 0.04 0.00 -1.04 0.00 0.00 56.93 56.60 2d9i s PHE 77 Cb -0.34 0.18 -0.02 0.00 -1.21 0.00 0.00 43.02 41.62 2d9i s PHE 77 CO 0.36 -0.56 -0.13 -1.12 -1.34 0.00 0.00 175.22 172.43 2d9i s SER 78 N -2.11 1.49 -0.49 1.98 0.01 0.00 -4.98 113.70 109.61 2d9i s SER 78 Ca -0.04 -0.51 -0.16 0.00 1.31 0.00 0.00 55.95 56.55 2d9i s SER 78 Cb -0.00 -0.06 0.08 0.00 0.21 0.00 0.00 66.02 66.25 2d9i s SER 78 CO -0.04 -0.04 0.42 -0.70 0.41 0.00 0.00 173.24 173.30 2d9i s GLU 79 N -1.36 2.98 -0.16 12.44 2.12 -1.26 -1.95 118.70 131.51 2d9i s GLU 79 Ca -0.01 -1.42 0.16 0.00 0.36 0.00 0.00 54.97 54.05 2d9i s GLU 79 Cb -0.09 -4.17 -0.24 0.00 0.26 0.00 0.00 34.13 29.89 2d9i s GLU 79 CO 0.01 -1.09 0.21 0.44 -0.54 0.00 0.00 175.26 174.29 2d9i n ILE 80 N 5.22 1.45 -4.25 -3.70 -5.35 -1.26 -4.98 119.36 106.49 2d9i n ILE 80 Ca -0.13 -0.84 -0.20 0.00 -0.27 0.00 0.00 62.75 61.32 2d9i n ILE 80 Cb 0.43 -0.63 -0.12 0.00 -1.74 0.00 0.00 39.64 37.58 2d9i n ILE 80 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2d9i s LYS 81 N -2.52 1.04 0.00 6.28 1.02 -1.26 -5.01 119.74 119.29 2d9i s LYS 81 Ca -0.09 -1.18 0.11 0.00 0.02 0.00 0.00 55.97 54.82 2d9i s LYS 81 Cb 0.07 -1.06 0.64 0.00 -0.52 0.00 0.00 37.83 36.96 2d9i s LYS 81 CO 0.82 0.22 1.08 -0.35 -0.92 0.00 0.00 175.35 176.20 2d9i n PRO 82 N 0.78 0.49 -0.75 -1.68 -0.04 -1.26 -2.64 135.00 129.90 2d9i n PRO 82 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2d9i n PRO 82 Cb 0.56 -1.34 -0.00 0.00 -0.04 0.00 0.00 33.50 32.67 2d9i n PRO 82 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2d9i n GLY 83 N -0.02 0.71 3.11 0.55 0.00 -1.26 -4.83 105.19 103.44 2d9i n GLY 83 Ca 0.08 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 2d9i n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d9i s LEU 85 N -2.34 0.29 -0.26 0.00 1.43 -0.79 -4.27 118.68 112.74 2d9i s LEU 85 Ca -0.02 -0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 52.87 2d9i s LEU 85 Cb 0.01 -0.23 -0.03 0.00 0.03 0.00 0.00 46.19 45.97 2d9i s LEU 85 CO -0.06 -0.25 0.48 -0.75 0.23 0.00 0.00 176.35 176.00 2d9i s LYS 86 N 2.11 4.07 -0.00 1.70 2.20 -0.82 -2.31 119.74 126.69 2d9i s LYS 86 Ca 0.05 0.26 0.06 0.00 -0.36 0.00 0.00 55.97 55.97 2d9i s LYS 86 Cb -0.13 -3.64 -0.03 0.00 -1.51 0.00 0.00 37.83 32.52 2d9i s LYS 86 CO -0.04 -0.31 -0.17 0.08 -0.36 0.00 0.00 175.35 174.54 2d9i s VAL 87 N 2.18 2.81 -0.38 4.02 1.01 -1.09 -0.82 120.40 128.13 2d9i s VAL 87 Ca 0.20 -1.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.00 2d9i s VAL 87 Cb -0.16 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.10 2d9i s VAL 87 CO 0.09 0.46 0.51 -0.04 0.00 0.00 0.00 175.10 176.13 2d9i s MET 88 N -1.07 3.44 0.16 2.72 1.00 -0.37 -0.82 119.30 124.37 2d9i s MET 88 Ca 0.13 -0.35 -0.32 0.00 0.00 0.00 0.00 55.69 55.16 2d9i s MET 88 Cb -0.10 -3.87 -0.10 0.00 0.00 0.00 0.00 34.83 30.75 2d9i s MET 88 CO 0.03 -0.75 1.58 -0.51 0.00 0.00 0.00 175.02 175.36 2d9i s LEU 89 N 2.40 4.37 0.17 -0.03 1.43 0.21 -4.64 118.68 122.59 2d9i s LEU 89 Ca 0.18 2.63 -0.30 0.00 -1.03 0.00 0.00 54.13 55.61 2d9i s LEU 89 Cb -0.16 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.40 2d9i s LEU 89 CO 0.14 -0.84 1.06 -0.54 0.23 0.00 0.00 176.35 176.41 2d9i s LYS 90 N 1.19 4.64 0.59 1.70 1.02 -1.26 -4.88 119.74 122.74 2d9i s LYS 90 Ca 0.70 1.65 -0.06 0.00 0.02 0.00 0.00 55.97 58.29 2d9i s LYS 90 Cb -0.44 -3.29 0.01 0.00 -0.52 0.00 0.00 37.83 33.59 2d9i s LYS 90 CO 0.31 0.15 0.90 -1.54 -0.92 0.00 0.00 175.35 174.25 2d9i s SER 91 N -0.22 5.57 0.00 2.83 1.04 -1.26 -5.06 113.70 116.60 2d9i s SER 91 Ca 0.48 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.60 2d9i s SER 91 Cb -0.28 -1.68 0.00 0.00 0.10 0.00 0.00 66.02 64.16 2d9i s SER 91 CO 0.34 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 174.09 2d9i n GLY 92 N -2.59 -0.60 0.54 7.32 0.00 -1.26 -5.17 105.19 103.43 2d9i n GLY 92 Ca 0.05 -0.62 -0.05 0.00 0.00 0.00 0.00 46.02 45.40 2d9i n GLY 92 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d9i n PRO 93 N 0.00 -1.35 -4.35 1.61 -0.04 -1.26 -5.10 135.00 124.51 2d9i n PRO 93 Ca 0.00 -0.27 -0.18 0.00 -0.04 0.00 0.00 63.50 63.01 2d9i n PRO 93 Cb 0.00 -0.25 -0.10 0.00 -0.04 0.00 0.00 33.50 33.11 2d9i n PRO 93 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2d9i s SER 94 N -1.96 2.03 0.15 3.54 0.01 -1.26 -5.06 113.70 111.15 2d9i s SER 94 Ca 0.11 -1.22 -0.26 0.00 1.31 0.00 0.00 55.95 55.89 2d9i s SER 94 Cb -0.01 -0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.18 2d9i s SER 94 CO 0.08 -0.48 1.59 0.28 0.41 0.00 0.00 173.24 175.12 2d9i h SER 95 N 2.42 -1.18 -0.00 2.44 0.02 -1.99 -3.55 113.55 111.71 2d9i h SER 95 Ca -0.39 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2d9i h SER 95 Cb 1.23 0.51 0.00 0.00 0.14 0.00 0.00 62.40 64.28 2d9i h SER 95 CO 0.65 -0.37 0.00 0.61 -1.14 0.00 0.00 176.83 176.58